#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcc h PRO 9 N 0.00 0.79 -0.21 0.11 0.11 -2.05 -0.48 132.00 130.27 3kcc h PRO 9 Ca 0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3kcc h PRO 9 Cb 0.00 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 3kcc h PRO 9 CO 0.00 0.52 -0.13 1.15 -0.21 0.00 0.00 178.00 179.33 3kcc h THR 10 N 0.81 1.31 -0.42 -1.15 2.02 -2.02 -1.22 112.91 112.23 3kcc h THR 10 Ca 0.30 -1.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.13 3kcc h THR 10 Cb 0.16 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3kcc h THR 10 CO -0.09 0.37 -0.23 -0.07 0.37 0.00 0.00 175.52 175.87 3kcc h LEU 11 N 0.14 0.89 -0.52 2.58 3.38 -1.93 -1.35 115.31 118.50 3kcc h LEU 11 Ca 0.04 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3kcc h LEU 11 Cb 0.64 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3kcc h LEU 11 CO 0.04 1.08 0.31 -0.33 0.09 0.00 0.00 178.44 179.62 3kcc h GLU 12 N 0.75 0.59 -0.01 1.13 5.08 -1.02 0.25 114.58 121.35 3kcc h GLU 12 Ca 0.10 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3kcc h GLU 12 Cb 0.78 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3kcc h GLU 12 CO 0.06 0.39 -0.04 2.35 -1.00 0.00 0.00 179.01 180.77 3kcc h TRP 13 N 0.61 -0.09 -0.31 4.33 7.01 -1.07 -1.73 115.95 124.69 3kcc h TRP 13 Ca 0.21 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.25 3kcc h TRP 13 Cb 0.04 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.10 3kcc h TRP 13 CO -0.07 -0.06 0.09 0.35 -2.79 0.00 0.00 178.44 175.96 3kcc h PHE 14 N -0.07 0.15 0.00 2.65 3.57 -0.86 -2.40 116.94 119.99 3kcc h PHE 14 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3kcc h PHE 14 Cb 0.09 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3kcc h PHE 14 CO -0.11 0.05 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.85 3kcc h LEU 15 N 0.21 0.00 -0.97 0.59 3.38 -0.25 -1.06 115.31 117.21 3kcc h LEU 15 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kcc h LEU 15 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kcc h LEU 15 CO -0.16 0.10 0.00 0.77 0.09 0.00 0.00 178.44 179.24 3kcc h SER 16 N 0.00 0.00 -0.02 -0.43 4.64 -0.78 -1.74 113.55 115.22 3kcc h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcc h SER 16 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3kcc h SER 16 CO 0.01 0.00 -0.23 1.41 -0.87 0.00 0.00 176.83 177.15 3kcc n HIS 17 N -2.30 0.00 -3.33 4.77 8.25 -0.40 -4.96 115.22 117.24 3kcc n HIS 17 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 3kcc n HIS 17 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3kcc n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kcc s HIS 19 N -2.29 2.78 -0.09 0.00 -3.43 -0.19 -4.90 115.29 107.16 3kcc s HIS 19 Ca 0.46 -0.28 -0.01 0.00 -0.80 0.00 0.00 55.06 54.43 3kcc s HIS 19 Cb -0.10 -1.72 -0.03 0.00 -1.43 0.00 0.00 32.58 29.31 3kcc s HIS 19 CO 0.33 0.08 -0.04 0.42 -2.00 0.00 0.00 174.74 173.54 3kcc s ILE 20 N -0.38 3.94 0.03 -5.38 1.01 -1.26 -0.85 121.20 118.31 3kcc s ILE 20 Ca 0.04 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3kcc s ILE 20 Cb -0.12 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3kcc s ILE 20 CO 0.02 0.58 -0.07 -1.00 0.00 0.00 0.00 174.94 174.47 3kcc s HIS 21 N -0.57 0.59 -0.11 3.97 3.76 0.16 -4.95 115.29 118.15 3kcc s HIS 21 Ca 0.09 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.48 3kcc s HIS 21 Cb -0.12 -0.36 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 3kcc s HIS 21 CO 0.02 -0.08 0.24 0.15 -0.85 0.00 0.00 174.74 174.22 3kcc s LYS 22 N -1.28 3.79 -0.11 1.40 -0.14 -1.26 -0.02 119.74 122.12 3kcc s LYS 22 Ca -0.08 0.04 0.03 0.00 -1.36 0.00 0.00 55.97 54.60 3kcc s LYS 22 Cb -0.08 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 3kcc s LYS 22 CO 0.00 0.60 -0.23 0.71 -0.76 0.00 0.00 175.35 175.68 3kcc s TYR 23 N -0.61 2.61 0.73 3.18 2.02 0.43 -4.98 117.35 120.72 3kcc s TYR 23 Ca 0.17 -1.11 -0.11 0.00 -0.37 0.00 0.00 57.07 55.64 3kcc s TYR 23 Cb -0.13 -1.75 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3kcc s TYR 23 CO 0.06 -0.47 1.07 -1.25 -1.57 0.00 0.00 175.55 173.39 3kcc s PRO 24 N 0.49 2.68 0.23 -1.71 0.04 -1.26 -0.27 135.00 135.21 3kcc s PRO 24 Ca -0.15 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 3kcc s PRO 24 Cb -0.17 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 3kcc s PRO 24 CO 0.05 -1.27 1.06 0.45 0.04 0.00 0.00 177.00 177.33 3kcc n SER 25 N -3.24 1.19 0.00 6.66 2.88 -1.25 -2.15 113.62 117.71 3kcc n SER 25 Ca 0.08 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3kcc n SER 25 Cb 0.54 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3kcc n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kcc n LYS 26 N 1.25 0.00 -2.15 -1.46 5.02 0.65 -4.94 118.16 116.53 3kcc n LYS 26 Ca 0.13 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 3kcc n LYS 26 Cb 0.28 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 3kcc n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kcc s SER 27 N -3.25 6.14 -0.29 4.39 1.04 -0.91 -4.69 113.70 116.14 3kcc s SER 27 Ca 0.00 1.67 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 3kcc s SER 27 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 3kcc s SER 27 CO 0.00 -0.92 0.18 -0.89 0.98 0.00 0.00 173.24 172.59 3kcc s THR 28 N -2.61 5.11 0.04 2.02 2.01 -1.26 -0.40 115.64 120.55 3kcc s THR 28 Ca 0.61 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.52 3kcc s THR 28 Cb -0.13 -3.47 -0.33 0.00 0.01 0.00 0.00 72.50 68.58 3kcc s THR 28 CO 0.37 0.22 1.02 -0.07 -0.69 0.00 0.00 174.62 175.46 3kcc h LEU 29 N 8.37 0.70 -7.59 4.42 4.07 -1.19 -3.46 115.31 120.63 3kcc h LEU 29 Ca -0.35 -0.77 -0.35 0.00 0.08 0.00 0.00 57.88 56.49 3kcc h LEU 29 Cb 1.18 -0.23 -0.34 0.00 1.08 0.00 0.00 40.66 42.35 3kcc h LEU 29 CO 0.57 1.60 -0.75 -0.63 -1.08 0.00 0.00 178.44 178.16 3kcc s ILE 30 N -2.62 0.17 -0.14 1.22 1.01 -1.15 -4.98 121.20 114.71 3kcc s ILE 30 Ca -0.08 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 3kcc s ILE 30 Cb 0.05 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3kcc s ILE 30 CO 0.92 0.15 0.06 -1.00 0.00 0.00 0.00 174.94 175.07 3kcc s HIS 31 N 1.12 3.28 0.35 3.97 3.76 -1.26 -0.92 115.29 125.60 3kcc s HIS 31 Ca -0.08 0.18 -0.28 0.00 -0.15 0.00 0.00 55.06 54.72 3kcc s HIS 31 Cb -0.13 -1.97 -0.11 0.00 1.11 0.00 0.00 32.58 31.47 3kcc s HIS 31 CO -0.02 0.35 1.46 0.94 -0.85 0.00 0.00 174.74 176.62 3kcc n GLN 32 N 2.86 2.56 0.00 1.40 7.27 -1.20 -2.27 117.38 127.99 3kcc n GLN 32 Ca -0.18 0.90 0.00 0.00 0.07 0.00 0.00 57.00 57.79 3kcc n GLN 32 Cb 0.53 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.57 3kcc n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kcc n GLY 33 N 0.81 2.90 3.73 1.69 0.00 -0.32 -4.93 105.19 109.07 3kcc n GLY 33 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3kcc n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcc s GLU 34 N -0.72 2.60 -0.05 1.61 2.02 -0.96 -4.53 118.70 118.67 3kcc s GLU 34 Ca 0.00 2.08 -0.30 0.00 0.02 0.00 0.00 54.97 56.77 3kcc s GLU 34 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 3kcc s GLU 34 CO 0.00 -1.57 1.17 0.15 0.02 0.00 0.00 175.26 175.03 3kcc s LYS 35 N -3.34 4.38 -0.27 1.61 3.01 -1.26 -0.39 119.74 123.48 3kcc s LYS 35 Ca 0.82 1.64 -0.20 0.00 -1.01 0.00 0.00 55.97 57.22 3kcc s LYS 35 Cb -0.38 -3.53 -0.02 0.00 -1.01 0.00 0.00 37.83 32.90 3kcc s LYS 35 CO 0.40 -0.39 0.63 0.00 0.51 0.00 0.00 175.35 176.50 3kcc s ALA 36 N 2.00 3.59 0.00 5.17 0.00 -0.29 -4.86 121.76 127.37 3kcc s ALA 36 Ca 0.55 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3kcc s ALA 36 Cb -0.24 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3kcc s ALA 36 CO 0.23 -0.88 0.47 0.39 0.00 0.00 0.00 175.76 175.97 3kcc n GLU 37 N 5.76 0.21 -4.06 0.00 1.02 -1.26 -4.69 120.64 117.61 3kcc n GLU 37 Ca -0.01 -0.51 -0.16 0.00 -0.02 0.00 0.00 57.16 56.47 3kcc n GLU 37 Cb 0.49 -0.54 -0.15 0.00 -0.02 0.00 0.00 31.44 31.22 3kcc n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kcc s THR 38 N -0.07 0.30 -0.05 2.62 2.01 -1.26 -0.97 115.64 118.21 3kcc s THR 38 Ca 0.00 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 3kcc s THR 38 Cb 0.00 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 3kcc s THR 38 CO 0.00 0.12 0.04 -0.22 -0.69 0.00 0.00 174.62 173.87 3kcc s LEU 39 N 0.29 3.77 0.27 4.42 2.96 0.38 -4.75 118.68 126.03 3kcc s LEU 39 Ca -0.03 0.17 0.11 0.00 -0.22 0.00 0.00 54.13 54.16 3kcc s LEU 39 Cb -0.06 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 3kcc s LEU 39 CO -0.01 0.34 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.92 3kcc s TYR 40 N -1.03 2.43 -0.13 5.38 2.02 0.16 -1.53 117.35 124.66 3kcc s TYR 40 Ca 0.17 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.52 3kcc s TYR 40 Cb -0.12 -1.07 0.05 0.00 -0.40 0.00 0.00 41.96 40.43 3kcc s TYR 40 CO 0.07 0.68 0.30 -0.47 -1.57 0.00 0.00 175.55 174.56 3kcc s TYR 41 N -2.42 -0.42 -0.48 2.71 5.04 0.19 -1.17 117.35 120.80 3kcc s TYR 41 Ca 0.30 0.96 -0.29 0.00 -2.44 0.00 0.00 57.07 55.60 3kcc s TYR 41 Cb -0.06 0.11 0.03 0.00 0.35 0.00 0.00 41.96 42.39 3kcc s TYR 41 CO 0.17 -0.28 1.14 0.42 -1.34 0.00 0.00 175.55 175.65 3kcc s ILE 42 N 1.43 4.21 0.05 3.14 1.01 -0.17 -0.49 121.20 130.37 3kcc s ILE 42 Ca -0.08 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 3kcc s ILE 42 Cb -0.10 -4.61 -0.33 0.00 0.01 0.00 0.00 42.46 37.43 3kcc s ILE 42 CO -0.10 -1.01 1.05 0.58 0.00 0.00 0.00 174.94 175.46 3kcc h VAL 43 N 6.23 1.36 -2.64 2.92 2.07 -1.26 0.12 116.25 125.05 3kcc h VAL 43 Ca -0.23 -2.83 -0.11 0.00 0.82 0.00 0.00 66.70 64.36 3kcc h VAL 43 Cb 1.06 3.01 -0.23 0.00 -1.52 0.00 0.00 31.29 33.62 3kcc h VAL 43 CO 1.13 0.84 -0.17 -0.75 0.02 0.00 0.00 177.57 178.64 3kcc s LYS 44 N -2.62 0.58 0.00 1.57 2.20 -0.87 -4.68 119.74 115.92 3kcc s LYS 44 Ca -0.07 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 3kcc s LYS 44 Cb 0.05 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 3kcc s LYS 44 CO 0.93 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.23 3kcc n GLY 45 N 2.53 -1.43 2.96 5.54 0.00 -1.26 -0.87 105.19 112.66 3kcc n GLY 45 Ca -0.15 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 3kcc n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcc s SER 46 N -1.46 0.25 0.20 1.61 0.01 -1.26 -2.25 113.70 110.79 3kcc s SER 46 Ca 0.00 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.91 3kcc s SER 46 Cb 0.00 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 3kcc s SER 46 CO 0.00 -0.21 0.00 0.68 0.41 0.00 0.00 173.24 174.13 3kcc s VAL 47 N -1.06 0.82 -0.08 3.43 -7.23 0.39 -0.67 120.40 116.01 3kcc s VAL 47 Ca -0.11 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 3kcc s VAL 47 Cb -0.07 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 3kcc s VAL 47 CO -0.01 -0.39 -0.18 0.00 -0.31 0.00 0.00 175.10 174.21 3kcc s ALA 48 N -3.56 2.44 -0.26 1.32 0.00 0.05 -1.30 121.76 120.45 3kcc s ALA 48 Ca 0.26 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 3kcc s ALA 48 Cb 0.06 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 3kcc s ALA 48 CO 0.06 0.39 0.22 0.08 0.00 0.00 0.00 175.76 176.52 3kcc s VAL 49 N -0.12 5.30 0.05 0.00 1.01 0.71 -1.05 120.40 126.30 3kcc s VAL 49 Ca -0.03 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.29 3kcc s VAL 49 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3kcc s VAL 49 CO 0.04 0.27 -0.20 -0.76 0.00 0.00 0.00 175.10 174.45 3kcc s LEU 50 N 1.52 2.18 0.34 3.92 1.43 0.16 -0.06 118.68 128.17 3kcc s LEU 50 Ca 0.09 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3kcc s LEU 50 Cb -0.15 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.10 3kcc s LEU 50 CO 0.08 0.13 -0.02 0.27 0.23 0.00 0.00 176.35 177.05 3kcc s ILE 51 N -0.83 1.73 0.10 -0.59 -4.36 -0.42 -1.42 121.20 115.42 3kcc s ILE 51 Ca 0.06 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 3kcc s ILE 51 Cb -0.09 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 3kcc s ILE 51 CO 0.02 -0.12 -0.09 -0.54 0.24 0.00 0.00 174.94 174.44 3kcc s LYS 52 N -3.74 0.87 0.09 0.37 1.02 -1.26 -0.92 119.74 116.16 3kcc s LYS 52 Ca 0.33 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 55.10 3kcc s LYS 52 Cb 0.07 -0.48 0.01 0.00 -0.52 0.00 0.00 37.83 36.92 3kcc s LYS 52 CO 0.15 0.06 0.12 -0.40 -0.92 0.00 0.00 175.35 174.36 3kcc n ASP 53 N 0.34 0.30 0.23 2.83 5.75 -0.36 -4.96 116.55 120.67 3kcc n ASP 53 Ca -0.14 -1.22 0.16 0.00 -0.01 0.00 0.00 54.79 53.57 3kcc n ASP 53 Cb 0.59 -0.07 0.69 0.00 -1.03 0.00 0.00 41.12 41.30 3kcc n ASP 53 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3kcc h GLU 54 N 0.00 0.00 -0.03 0.11 -0.00 -2.02 -2.44 114.58 110.20 3kcc h GLU 54 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 3kcc h GLU 54 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 3kcc h GLU 54 CO 0.06 0.00 -0.06 0.39 -0.00 0.00 0.00 179.01 179.40 3kcc n GLU 55 N -2.77 2.10 -0.27 1.06 4.71 -1.26 -4.96 120.64 119.25 3kcc n GLU 55 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 57.16 55.38 3kcc n GLU 55 Cb 0.23 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 3kcc n GLU 55 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kcc n GLY 56 N 1.31 0.65 3.77 0.62 0.00 -0.92 -5.05 105.19 105.58 3kcc n GLY 56 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kcc n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kcc n LYS 57 N -2.02 2.60 -4.73 1.61 5.02 -1.26 -4.74 118.16 114.63 3kcc n LYS 57 Ca 0.00 0.91 -0.32 0.00 -2.02 0.00 0.00 58.31 56.88 3kcc n LYS 57 Cb 0.00 -2.67 -0.12 0.00 -0.02 0.00 0.00 35.03 32.21 3kcc n LYS 57 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3kcc s GLU 58 N -2.19 2.42 -0.05 1.97 2.02 -1.26 -1.23 118.70 120.38 3kcc s GLU 58 Ca 0.55 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.82 3kcc s GLU 58 Cb -0.47 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 3kcc s GLU 58 CO 0.62 0.60 -0.20 1.41 0.02 0.00 0.00 175.26 177.72 3kcc s MET 59 N -1.05 2.08 -0.35 1.61 -2.45 -0.10 -4.55 119.30 114.49 3kcc s MET 59 Ca 0.13 -0.71 -0.23 0.00 -1.25 0.00 0.00 55.69 53.64 3kcc s MET 59 Cb -0.11 -1.77 0.01 0.00 1.25 0.00 0.00 34.83 34.21 3kcc s MET 59 CO 0.03 0.27 0.79 0.42 1.05 0.00 0.00 175.02 177.58 3kcc s ILE 60 N 0.02 4.74 0.11 10.11 1.01 0.02 -1.29 121.20 135.92 3kcc s ILE 60 Ca -0.05 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 3kcc s ILE 60 Cb -0.13 -4.20 -0.20 0.00 0.01 0.00 0.00 42.46 37.94 3kcc s ILE 60 CO 0.03 -0.40 1.27 -0.07 0.00 0.00 0.00 174.94 175.77 3kcc h LEU 61 N 9.70 0.64 -7.00 2.97 3.38 -0.79 -3.43 115.31 120.77 3kcc h LEU 61 Ca -0.25 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.26 3kcc h LEU 61 Cb 1.09 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 3kcc h LEU 61 CO 0.91 1.31 0.43 -0.55 0.09 0.00 0.00 178.44 180.63 3kcc s SER 62 N -7.14 -0.45 0.12 -0.43 0.15 -1.20 -4.96 113.70 99.79 3kcc s SER 62 Ca -0.07 0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 3kcc s SER 62 Cb 0.08 0.39 -0.06 0.00 -1.71 0.00 0.00 66.02 64.73 3kcc s SER 62 CO 0.88 -0.51 0.37 -0.31 1.20 0.00 0.00 173.24 174.88 3kcc s TYR 63 N -1.75 3.50 0.09 3.44 2.02 -1.26 -0.21 117.35 123.18 3kcc s TYR 63 Ca -0.02 0.60 0.05 0.00 -0.37 0.00 0.00 57.07 57.33 3kcc s TYR 63 Cb -0.00 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 3kcc s TYR 63 CO 0.00 0.46 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.80 3kcc s LEU 64 N -2.45 2.34 0.00 -1.29 1.43 -0.42 -4.95 118.68 113.34 3kcc s LEU 64 Ca 0.39 -0.71 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3kcc s LEU 64 Cb -0.13 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 3kcc s LEU 64 CO 0.23 -0.14 0.21 0.59 0.23 0.00 0.00 176.35 177.47 3kcc n ASN 65 N 0.93 0.06 -4.56 2.29 3.02 -1.26 -0.46 115.26 115.28 3kcc n ASN 65 Ca -0.19 -2.98 -0.55 0.00 -0.03 0.00 0.00 54.58 50.84 3kcc n ASN 65 Cb 0.56 1.30 -0.07 0.00 -0.61 0.00 0.00 39.78 40.95 3kcc n ASN 65 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3kcc n GLN 66 N -0.67 0.74 -0.01 3.52 7.27 -0.96 -1.15 117.38 126.13 3kcc n GLN 66 Ca 0.02 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.36 3kcc n GLN 66 Cb 0.55 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 31.34 3kcc n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kcc n GLY 67 N 2.22 0.57 3.77 1.69 0.00 0.03 -5.02 105.19 108.44 3kcc n GLY 67 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3kcc n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcc s ASP 68 N -2.42 6.95 0.50 1.61 1.01 -0.30 -4.85 116.67 119.18 3kcc s ASP 68 Ca 0.00 1.13 -0.19 0.00 0.71 0.00 0.00 52.55 54.20 3kcc s ASP 68 Cb 0.00 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.50 3kcc s ASP 68 CO 0.00 0.13 1.03 -0.36 0.21 0.00 0.00 175.17 176.17 3kcc s PHE 69 N -0.28 3.07 0.05 4.23 0.08 -1.26 -1.00 117.98 122.87 3kcc s PHE 69 Ca 0.30 1.56 0.01 0.00 0.12 0.00 0.00 56.93 58.91 3kcc s PHE 69 Cb -0.18 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3kcc s PHE 69 CO 0.17 -0.76 -0.05 0.42 -0.10 0.00 0.00 175.22 174.90 3kcc s ILE 70 N -2.16 0.39 -0.58 0.64 1.01 -0.32 -4.86 121.20 115.31 3kcc s ILE 70 Ca 0.65 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3kcc s ILE 70 Cb -0.15 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.24 3kcc s ILE 70 CO 0.24 -0.72 0.00 0.61 0.00 0.00 0.00 174.94 175.06 3kcc n GLY 71 N 0.70 0.64 0.21 6.18 0.00 -1.26 -0.66 105.19 111.00 3kcc n GLY 71 Ca -0.18 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.19 3kcc n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kcc h GLU 72 N 0.00 0.00 0.00 1.61 9.09 -1.89 -3.37 114.58 120.02 3kcc h GLU 72 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3kcc h GLU 72 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3kcc h GLU 72 CO 0.17 0.12 0.00 -0.07 0.05 0.00 0.00 179.01 179.28 3kcc h LEU 73 N 0.00 0.00 -1.29 3.06 3.38 -1.96 -2.10 115.31 116.40 3kcc h LEU 73 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kcc h LEU 73 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3kcc h LEU 73 CO 0.02 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.11 3kcc n GLY 74 N -0.16 0.33 0.21 0.83 0.00 -1.26 -4.47 105.19 100.67 3kcc n GLY 74 Ca 0.01 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.55 3kcc n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kcc h LEU 75 N 3.15 0.00 0.00 0.99 5.85 -1.64 -3.30 115.31 120.36 3kcc h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kcc h LEU 75 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3kcc h LEU 75 CO 0.00 0.29 -1.18 0.49 -0.34 0.00 0.00 178.44 177.70 3kcc n PHE 76 N -3.79 0.05 -3.79 1.25 3.72 -1.26 -4.86 117.46 108.78 3kcc n PHE 76 Ca -0.01 0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3kcc n PHE 76 Cb 0.38 -0.20 -0.13 0.00 -0.94 0.00 0.00 39.48 38.59 3kcc n PHE 76 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3kcc s GLU 77 N -3.15 0.15 0.66 -1.08 8.01 -1.24 -5.16 118.70 116.89 3kcc s GLU 77 Ca 0.04 0.28 -0.15 0.00 0.01 0.00 0.00 54.97 55.15 3kcc s GLU 77 Cb 0.15 -0.02 -0.00 0.00 -4.31 0.00 0.00 34.13 29.95 3kcc s GLU 77 CO 0.85 -0.08 1.12 -1.83 0.01 0.00 0.00 175.26 175.34 3kcc s GLU 78 N 0.53 2.77 0.00 1.61 1.03 -1.26 -4.03 118.70 119.35 3kcc s GLU 78 Ca -0.04 1.45 0.00 0.00 0.03 0.00 0.00 54.97 56.41 3kcc s GLU 78 Cb -0.05 -1.94 0.00 0.00 -0.80 0.00 0.00 34.13 31.34 3kcc s GLU 78 CO -0.03 -1.29 0.00 0.41 -1.33 0.00 0.00 175.26 173.03 3kcc n GLY 79 N -0.37 0.45 3.91 -3.83 0.00 -1.26 -5.04 105.19 99.04 3kcc n GLY 79 Ca 0.11 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3kcc n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcc s GLN 80 N -1.42 3.61 0.17 1.61 -0.21 -1.26 -4.97 119.66 117.20 3kcc s GLN 80 Ca 0.00 0.07 0.05 0.00 0.02 0.00 0.00 55.36 55.50 3kcc s GLN 80 Cb 0.00 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 3kcc s GLN 80 CO 0.00 0.05 0.12 -1.83 -2.12 0.00 0.00 175.29 171.51 3kcc s GLU 81 N -4.06 2.84 0.29 2.91 4.04 -1.26 -1.14 118.70 122.31 3kcc s GLU 81 Ca 0.45 -0.91 -0.30 0.00 0.04 0.00 0.00 54.97 54.25 3kcc s GLU 81 Cb -0.10 -2.60 -0.11 0.00 0.02 0.00 0.00 34.13 31.34 3kcc s GLU 81 CO 0.35 0.47 1.54 1.03 -1.84 0.00 0.00 175.26 176.81 3kcc s ARG 82 N -3.14 4.16 0.00 -4.83 1.81 0.48 -4.82 118.95 112.61 3kcc s ARG 82 Ca 0.31 2.50 0.26 0.00 -1.72 0.00 0.00 55.73 57.07 3kcc s ARG 82 Cb -0.10 -3.04 0.60 0.00 -0.45 0.00 0.00 34.95 31.97 3kcc s ARG 82 CO 0.23 -0.56 1.48 -1.13 -0.68 0.00 0.00 175.30 174.65 3kcc n SER 83 N 2.00 0.43 -3.63 0.23 3.41 -1.26 -1.17 113.62 113.63 3kcc n SER 83 Ca 0.07 -0.14 -0.08 0.00 -0.26 0.00 0.00 58.87 58.46 3kcc n SER 83 Cb 0.38 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3kcc n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcc s ALA 84 N -3.00 -1.56 0.29 7.33 0.00 -1.26 -4.94 121.76 118.62 3kcc s ALA 84 Ca 0.11 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 3kcc s ALA 84 Cb 0.18 0.72 -0.09 0.00 0.00 0.00 0.00 23.12 23.93 3kcc s ALA 84 CO 0.68 -0.89 0.78 -1.58 0.00 0.00 0.00 175.76 174.75 3kcc s TRP 85 N -3.56 3.54 -0.16 0.00 0.51 -0.51 -3.26 118.94 115.51 3kcc s TRP 85 Ca 0.07 1.42 0.00 0.00 -2.12 0.00 0.00 56.10 55.47 3kcc s TRP 85 Cb -0.02 -2.66 0.03 0.00 -0.81 0.00 0.00 33.47 30.00 3kcc s TRP 85 CO -0.03 0.20 -0.09 0.08 -0.51 0.00 0.00 176.95 176.59 3kcc s VAL 86 N -1.74 1.33 -0.07 4.03 1.01 -0.10 -0.66 120.40 124.20 3kcc s VAL 86 Ca 0.49 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3kcc s VAL 86 Cb -0.14 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3kcc s VAL 86 CO 0.19 0.28 -0.16 -0.13 0.00 0.00 0.00 175.10 175.29 3kcc s ARG 87 N 1.56 2.69 0.07 2.72 0.52 -0.21 -0.55 118.95 125.75 3kcc s ARG 87 Ca 0.03 -0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 3kcc s ARG 87 Cb -0.14 -2.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 3kcc s ARG 87 CO -0.09 0.49 1.60 0.00 0.02 0.00 0.00 175.30 177.33 3kcc s ALA 88 N -0.40 3.67 -0.17 2.13 0.00 0.46 -0.77 121.76 126.68 3kcc s ALA 88 Ca 0.04 1.17 0.19 0.00 0.00 0.00 0.00 51.96 53.36 3kcc s ALA 88 Cb -0.12 -3.67 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 3kcc s ALA 88 CO 0.02 -1.04 0.89 1.63 0.00 0.00 0.00 175.76 177.26 3kcc n LYS 89 N 5.41 0.62 -4.25 0.00 5.02 0.15 -0.25 118.16 124.86 3kcc n LYS 89 Ca 0.15 0.16 -0.16 0.00 -2.02 0.00 0.00 58.31 56.45 3kcc n LYS 89 Cb 0.41 -1.80 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 3kcc n LYS 89 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kcc s THR 90 N -3.12 0.02 0.25 -0.18 -4.23 -1.19 -4.73 115.64 102.45 3kcc s THR 90 Ca -0.02 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.18 3kcc s THR 90 Cb 0.09 -2.50 -0.14 0.00 1.34 0.00 0.00 72.50 71.30 3kcc s THR 90 CO 0.81 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 176.23 3kcc n ALA 91 N -0.46 0.84 -2.57 3.99 0.00 -1.26 -3.75 120.51 117.31 3kcc n ALA 91 Ca 0.05 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 3kcc n ALA 91 Cb 0.64 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 3kcc n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcc s GLU 93 N -1.30 3.34 -0.08 0.00 -6.30 -0.05 -0.43 118.70 113.88 3kcc s GLU 93 Ca 0.04 -0.64 0.02 0.00 -2.50 0.00 0.00 54.97 51.89 3kcc s GLU 93 Cb -0.09 -2.99 0.01 0.00 0.00 0.00 0.00 34.13 31.07 3kcc s GLU 93 CO 0.02 -0.20 -0.13 0.08 0.02 0.00 0.00 175.26 175.04 3kcc s VAL 94 N 1.47 1.24 0.18 3.70 1.01 0.97 -0.70 120.40 128.26 3kcc s VAL 94 Ca 0.06 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 3kcc s VAL 94 Cb -0.14 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 3kcc s VAL 94 CO -0.04 0.38 0.69 0.00 0.00 0.00 0.00 175.10 176.13 3kcc s ALA 95 N 0.77 3.47 0.04 5.51 0.00 0.36 -0.66 121.76 131.24 3kcc s ALA 95 Ca -0.12 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.01 3kcc s ALA 95 Cb -0.16 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3kcc s ALA 95 CO 0.02 0.35 -0.11 -1.21 0.00 0.00 0.00 175.76 174.81 3kcc s GLU 96 N -1.71 0.72 -0.18 0.00 0.41 -0.03 -0.63 118.70 117.29 3kcc s GLU 96 Ca 0.39 -0.72 -0.16 0.00 -0.41 0.00 0.00 54.97 54.07 3kcc s GLU 96 Cb -0.18 -0.65 0.05 0.00 -1.78 0.00 0.00 34.13 31.57 3kcc s GLU 96 CO 0.21 0.15 0.47 -1.50 -0.49 0.00 0.00 175.26 174.10 3kcc s ILE 97 N -1.01 -0.00 0.58 -1.63 2.07 -0.59 -1.03 121.20 119.60 3kcc s ILE 97 Ca -0.03 0.01 -0.20 0.00 -1.41 0.00 0.00 60.65 59.02 3kcc s ILE 97 Cb -0.08 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3kcc s ILE 97 CO 0.01 0.00 1.26 -0.94 -1.91 0.00 0.00 174.94 173.36 3kcc s SER 98 N 0.36 5.16 0.28 4.50 1.04 -1.26 -0.47 113.70 123.31 3kcc s SER 98 Ca -0.01 2.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.94 3kcc s SER 98 Cb -0.04 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.95 3kcc s SER 98 CO -0.01 -1.62 1.87 1.88 0.98 0.00 0.00 173.24 176.34 3kcc h TYR 99 N 1.05 1.17 -0.26 5.02 0.99 -1.39 -0.57 116.97 122.97 3kcc h TYR 99 Ca -0.51 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.29 3kcc h TYR 99 Cb 1.30 -0.38 -0.03 0.00 1.00 0.00 0.00 36.73 38.62 3kcc h TYR 99 CO 0.46 0.56 0.07 -0.22 -0.00 0.00 0.00 178.16 179.02 3kcc h LYS 100 N 1.10 0.17 -0.42 4.88 3.64 -1.91 -0.37 116.57 123.67 3kcc h LYS 100 Ca 0.45 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.68 3kcc h LYS 100 Cb 0.28 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3kcc h LYS 100 CO -0.20 0.11 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.57 3kcc h LYS 101 N 0.18 0.92 -0.79 1.90 3.64 -1.86 -3.00 116.57 117.56 3kcc h LYS 101 Ca 0.12 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3kcc h LYS 101 Cb 0.11 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3kcc h LYS 101 CO -0.14 1.09 0.45 0.35 -2.27 0.00 0.00 179.45 178.92 3kcc h PHE 102 N 0.77 1.05 -0.49 1.91 3.57 -0.76 -1.58 116.94 121.41 3kcc h PHE 102 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3kcc h PHE 102 Cb 0.87 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3kcc h PHE 102 CO 0.05 0.72 0.24 0.00 -2.23 0.00 0.00 178.31 177.10 3kcc h ARG 103 N 1.09 0.68 -0.36 1.11 3.08 -0.95 -0.95 114.38 118.09 3kcc h ARG 103 Ca 0.28 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3kcc h ARG 103 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3kcc h ARG 103 CO -0.05 0.52 -0.01 1.96 -1.07 0.00 0.00 179.97 181.32 3kcc h GLN 104 N 0.68 0.64 -0.92 0.04 4.20 -1.19 -2.78 115.11 115.78 3kcc h GLN 104 Ca 0.17 -0.21 0.08 0.00 0.06 0.00 0.00 58.65 58.75 3kcc h GLN 104 Cb 0.06 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 3kcc h GLN 104 CO -0.02 0.76 0.57 -0.07 -0.67 0.00 0.00 178.83 179.40 3kcc h LEU 105 N 0.45 0.88 -0.59 1.46 3.38 -0.64 -1.81 115.31 118.44 3kcc h LEU 105 Ca 0.10 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3kcc h LEU 105 Cb 0.48 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3kcc h LEU 105 CO 0.02 0.54 0.35 0.40 0.09 0.00 0.00 178.44 179.84 3kcc h ILE 106 N 1.00 1.05 -0.63 1.22 2.04 -1.00 0.19 117.51 121.38 3kcc h ILE 106 Ca 0.42 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 66.09 3kcc h ILE 106 Cb 0.27 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 3kcc h ILE 106 CO -0.20 0.13 0.35 1.56 0.00 0.00 0.00 178.15 179.98 3kcc h GLN 107 N 0.69 0.65 -0.27 2.37 1.08 -1.11 -1.80 115.11 116.71 3kcc h GLN 107 Ca 0.24 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3kcc h GLN 107 Cb 0.05 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3kcc h GLN 107 CO -0.11 0.43 -0.04 0.28 -0.95 0.00 0.00 178.83 178.44 3kcc h VAL 108 N 0.67 1.27 -1.86 -0.54 2.07 -0.59 -3.42 116.25 113.85 3kcc h VAL 108 Ca 0.28 -1.02 -0.28 0.00 0.82 0.00 0.00 66.70 66.50 3kcc h VAL 108 Cb 0.14 1.39 -0.30 0.00 -1.52 0.00 0.00 31.29 31.00 3kcc h VAL 108 CO -0.16 0.32 -0.61 0.21 0.02 0.00 0.00 177.57 177.36 3kcc s ASN 109 N -6.07 0.87 0.00 0.57 3.84 0.59 -5.01 114.94 109.73 3kcc s ASN 109 Ca -0.13 -0.91 0.08 0.00 0.21 0.00 0.00 52.86 52.10 3kcc s ASN 109 Cb 0.08 0.82 0.35 0.00 -0.55 0.00 0.00 41.25 41.94 3kcc s ASN 109 CO 0.76 -0.32 1.19 -2.65 -2.79 0.00 0.00 177.10 173.29 3kcc n PRO 110 N 4.92 0.04 0.02 0.43 -0.02 -0.69 -2.17 135.00 137.52 3kcc n PRO 110 Ca 0.04 0.31 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3kcc n PRO 110 Cb 0.48 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 33.07 3kcc n PRO 110 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kcc h ASP 111 N 0.00 0.13 0.21 2.55 3.32 -1.93 -0.67 116.42 120.04 3kcc h ASP 111 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3kcc h ASP 111 Cb 0.11 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3kcc h ASP 111 CO 0.00 0.08 -0.45 -0.29 -1.72 0.00 0.00 179.24 176.85 3kcc h ILE 112 N 0.15 1.33 -0.34 0.35 6.09 -1.79 -1.06 117.51 122.23 3kcc h ILE 112 Ca 0.21 -1.64 -0.15 0.00 -1.37 0.00 0.00 64.86 61.92 3kcc h ILE 112 Cb 0.66 1.73 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 3kcc h ILE 112 CO -0.03 0.49 -0.37 0.25 -3.07 0.00 0.00 178.15 175.42 3kcc h LEU 113 N 0.24 0.86 -0.88 2.19 5.85 -1.38 -2.52 115.31 119.67 3kcc h LEU 113 Ca 0.02 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3kcc h LEU 113 Cb 0.90 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3kcc h LEU 113 CO 0.07 1.13 0.56 0.24 -0.34 0.00 0.00 178.44 180.10 3kcc h MET 114 N 0.67 1.01 -0.52 1.25 2.86 -0.64 0.16 114.93 119.71 3kcc h MET 114 Ca 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kcc h MET 114 Cb 0.93 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3kcc h MET 114 CO 0.09 0.67 0.24 0.00 1.06 0.00 0.00 176.91 178.96 3kcc h ARG 115 N 1.04 0.76 -0.10 1.72 2.47 -1.07 -0.47 114.38 118.72 3kcc h ARG 115 Ca 0.37 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 3kcc h ARG 115 Cb 0.12 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 3kcc h ARG 115 CO -0.16 0.64 0.01 1.25 0.56 0.00 0.00 179.97 182.27 3kcc h LEU 116 N 0.70 0.17 -1.26 3.04 5.85 -1.05 -3.12 115.31 119.63 3kcc h LEU 116 Ca 0.18 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3kcc h LEU 116 Cb 0.14 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3kcc h LEU 116 CO -0.02 0.41 0.22 0.28 -0.34 0.00 0.00 178.44 178.99 3kcc h SER 117 N -0.08 0.66 -0.86 1.25 0.02 -0.55 -1.04 113.55 112.94 3kcc h SER 117 Ca 0.03 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3kcc h SER 117 Cb 0.32 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3kcc h SER 117 CO 0.00 0.59 0.53 0.00 -1.14 0.00 0.00 176.83 176.81 3kcc h ALA 118 N 1.52 1.19 -0.38 3.77 0.00 -1.05 0.16 119.26 124.46 3kcc h ALA 118 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3kcc h ALA 118 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kcc h ALA 118 CO -0.02 0.27 -0.31 1.96 0.00 0.00 0.00 179.25 181.15 3kcc h GLN 119 N 0.96 0.88 -0.77 0.00 4.20 -1.18 -2.06 115.11 117.14 3kcc h GLN 119 Ca 0.38 -0.44 0.04 0.00 0.06 0.00 0.00 58.65 58.69 3kcc h GLN 119 Cb 0.19 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 3kcc h GLN 119 CO -0.18 1.09 0.48 0.52 -0.67 0.00 0.00 178.83 180.07 3kcc h MET 120 N 0.68 0.90 -0.44 1.46 2.86 -0.65 0.04 114.93 119.79 3kcc h MET 120 Ca 0.07 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3kcc h MET 120 Cb 0.90 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3kcc h MET 120 CO 0.08 0.60 0.17 0.00 1.06 0.00 0.00 176.91 178.82 3kcc h ALA 121 N 1.34 0.58 -0.64 6.32 0.00 -0.84 -1.08 119.26 124.93 3kcc h ALA 121 Ca 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kcc h ALA 121 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kcc h ALA 121 CO -0.13 0.19 0.30 -0.09 0.00 0.00 0.00 179.25 179.53 3kcc h ARG 122 N 0.57 0.93 -0.81 0.00 9.65 -1.04 -1.82 114.38 121.86 3kcc h ARG 122 Ca 0.15 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3kcc h ARG 122 Cb 0.21 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 3kcc h ARG 122 CO -0.01 0.75 0.37 0.00 2.80 0.00 0.00 179.97 183.88 3kcc h ARG 123 N 0.89 1.17 -0.74 0.20 3.08 -0.71 -0.34 114.38 117.92 3kcc h ARG 123 Ca 0.22 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3kcc h ARG 123 Cb 0.13 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3kcc h ARG 123 CO -0.03 0.91 0.34 1.25 -1.07 0.00 0.00 179.97 181.37 3kcc h LEU 124 N 1.15 0.99 0.06 3.04 5.85 -0.86 0.10 115.31 125.65 3kcc h LEU 124 Ca 0.27 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kcc h LEU 124 Cb 0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3kcc h LEU 124 CO -0.03 0.86 -0.06 1.56 -0.34 0.00 0.00 178.44 180.42 3kcc h GLN 125 N 1.05 -0.14 -0.50 1.25 4.20 -0.72 -0.57 115.11 119.68 3kcc h GLN 125 Ca 0.25 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.86 3kcc h GLN 125 Cb 0.15 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3kcc h GLN 125 CO -0.03 -0.09 -0.11 0.28 -0.67 0.00 0.00 178.83 178.21 3kcc h VAL 126 N -0.14 1.27 -0.14 -0.54 2.07 -0.88 -1.23 116.25 116.66 3kcc h VAL 126 Ca 0.01 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 3kcc h VAL 126 Cb 0.14 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3kcc h VAL 126 CO -0.02 0.44 -0.44 0.74 0.02 0.00 0.00 177.57 178.30 3kcc h THR 127 N 0.82 1.32 -0.30 2.57 2.02 -0.74 -1.15 112.91 117.45 3kcc h THR 127 Ca 0.13 -1.62 -0.09 0.00 0.77 0.00 0.00 66.41 65.60 3kcc h THR 127 Cb 0.67 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3kcc h THR 127 CO 0.05 0.49 -0.21 0.28 0.37 0.00 0.00 175.52 176.50 3kcc h SER 128 N 0.27 0.56 -0.71 4.18 0.02 -0.83 -1.32 113.55 115.70 3kcc h SER 128 Ca 0.02 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 3kcc h SER 128 Cb 0.89 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3kcc h SER 128 CO 0.07 0.77 0.22 -0.08 -1.14 0.00 0.00 176.83 176.67 3kcc h GLU 129 N 0.50 1.11 -0.81 3.45 4.81 -0.74 -2.34 114.58 120.56 3kcc h GLU 129 Ca 0.08 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3kcc h GLU 129 Cb 0.63 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 3kcc h GLU 129 CO 0.04 0.95 0.52 -0.22 -0.73 0.00 0.00 179.01 179.57 3kcc h LYS 130 N 1.05 0.98 -0.39 1.92 3.64 -0.65 -0.09 116.57 123.03 3kcc h LYS 130 Ca 0.23 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3kcc h LYS 130 Cb 0.31 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3kcc h LYS 130 CO -0.01 0.65 0.23 0.28 -2.27 0.00 0.00 179.45 178.33 3kcc h VAL 131 N 1.01 1.05 -0.58 2.00 2.07 -0.99 -0.50 116.25 120.31 3kcc h VAL 131 Ca 0.32 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.69 3kcc h VAL 131 Cb -0.00 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3kcc h VAL 131 CO -0.11 0.09 0.39 1.23 0.02 0.00 0.00 177.57 179.18 3kcc h GLY 132 N 0.47 0.82 1.00 2.17 0.00 -0.81 -0.14 103.07 106.58 3kcc h GLY 132 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3kcc h GLY 132 CO -0.06 0.30 0.29 3.43 0.00 0.00 0.00 176.54 180.49 3kcc h ASN 133 N 0.79 0.53 0.11 0.19 2.35 -0.61 0.14 115.58 119.08 3kcc h ASN 133 Ca 0.21 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3kcc h ASN 133 Cb -0.09 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3kcc h ASN 133 CO -0.05 0.41 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.74 3kcc h LEU 134 N 0.60 0.33 0.02 1.61 3.38 -0.75 -0.78 115.31 119.72 3kcc h LEU 134 Ca 0.16 -0.12 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 3kcc h LEU 134 Cb -0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kcc h LEU 134 CO -0.03 0.64 -1.10 0.00 0.09 0.00 0.00 178.44 178.04 3kcc h ALA 135 N 1.38 0.25 0.00 1.53 0.00 -0.67 -3.40 119.26 118.36 3kcc h ALA 135 Ca 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 3kcc h ALA 135 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kcc h ALA 135 CO 0.05 1.06 -1.47 1.19 0.00 0.00 0.00 179.25 180.09 3kcc n PHE 136 N -3.49 0.00 -4.17 0.00 3.72 0.48 -5.01 117.46 108.99 3kcc n PHE 136 Ca -0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.04 3kcc n PHE 136 Cb 0.96 -0.26 -0.08 0.00 -0.94 0.00 0.00 39.48 39.16 3kcc n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kcc s LEU 137 N -3.87 3.62 0.84 4.37 1.43 -0.30 -5.05 118.68 119.71 3kcc s LEU 137 Ca -0.04 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 3kcc s LEU 137 Cb 0.05 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 44.18 3kcc s LEU 137 CO 0.39 0.23 1.18 -1.48 0.23 0.00 0.00 176.35 176.90 3kcc s LEU 138 N -1.94 2.41 0.31 1.79 2.34 -1.26 -4.76 118.68 117.58 3kcc s LEU 138 Ca 0.24 0.78 0.00 0.00 0.06 0.00 0.00 54.13 55.21 3kcc s LEU 138 Cb -0.12 -3.20 0.52 0.00 -0.56 0.00 0.00 46.19 42.84 3kcc s LEU 138 CO 0.15 -2.10 1.96 0.58 -1.06 0.00 0.00 176.35 175.88 3kcc h VAL 139 N -1.19 1.15 -0.38 1.48 2.07 -1.96 -0.72 116.25 116.69 3kcc h VAL 139 Ca -0.47 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3kcc h VAL 139 Cb 1.32 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kcc h VAL 139 CO 0.63 0.19 0.20 0.74 0.02 0.00 0.00 177.57 179.35 3kcc h THR 140 N 1.02 1.15 -0.66 2.57 2.02 -1.99 -0.28 112.91 116.74 3kcc h THR 140 Ca 0.32 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 3kcc h THR 140 Cb 0.01 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3kcc h THR 140 CO -0.09 0.16 0.22 1.23 0.37 0.00 0.00 175.52 177.40 3kcc h GLY 141 N 0.48 1.08 1.37 2.16 0.00 -1.75 0.54 103.07 106.95 3kcc h GLY 141 Ca 0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 3kcc h GLY 141 CO -0.02 0.57 -0.23 3.21 0.00 0.00 0.00 176.54 180.07 3kcc h ARG 142 N 0.97 0.73 -0.22 4.80 3.08 -0.88 -1.39 114.38 121.47 3kcc h ARG 142 Ca 0.22 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 3kcc h ARG 142 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kcc h ARG 142 CO -0.01 0.89 -0.24 0.82 -1.07 0.00 0.00 179.97 180.36 3kcc h ILE 143 N 0.63 1.32 -0.18 2.04 2.04 -0.62 -1.33 117.51 121.43 3kcc h ILE 143 Ca 0.09 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.57 3kcc h ILE 143 Cb 0.73 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3kcc h ILE 143 CO 0.06 0.44 -0.09 0.00 0.00 0.00 0.00 178.15 178.56 3kcc h ALA 144 N 0.65 0.07 -0.63 1.87 0.00 -0.85 -0.31 119.26 120.06 3kcc h ALA 144 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kcc h ALA 144 Cb 0.80 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3kcc h ALA 144 CO 0.06 -0.52 0.26 0.37 0.00 0.00 0.00 179.25 179.42 3kcc h GLN 145 N -0.07 0.92 -0.52 0.00 4.15 -1.23 -1.65 115.11 116.71 3kcc h GLN 145 Ca 0.10 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 3kcc h GLN 145 Cb 0.21 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3kcc h GLN 145 CO -0.22 0.74 0.02 1.15 -1.93 0.00 0.00 178.83 178.59 3kcc h THR 146 N 0.91 1.26 -0.65 2.39 2.02 -0.70 -0.81 112.91 117.33 3kcc h THR 146 Ca 0.22 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 3kcc h THR 146 Cb 0.16 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3kcc h THR 146 CO -0.02 0.38 0.10 -0.07 0.37 0.00 0.00 175.52 176.28 3kcc h LEU 147 N 0.78 1.01 -0.33 2.58 3.38 -0.77 -1.74 115.31 120.23 3kcc h LEU 147 Ca 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kcc h LEU 147 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kcc h LEU 147 CO 0.02 1.01 0.08 -0.07 0.09 0.00 0.00 178.44 179.57 3kcc h LEU 148 N 0.99 0.50 -1.14 1.67 3.38 -1.11 -2.24 115.31 117.36 3kcc h LEU 148 Ca 0.20 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3kcc h LEU 148 Cb 0.43 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kcc h LEU 148 CO 0.01 0.60 -0.06 0.78 0.09 0.00 0.00 178.44 179.86 3kcc h ASN 149 N 0.38 0.50 0.63 -0.43 2.35 -0.97 -2.74 115.58 115.30 3kcc h ASN 149 Ca 0.10 -0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 3kcc h ASN 149 Cb 0.29 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3kcc h ASN 149 CO 0.00 0.62 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.64 3kcc h LEU 150 N 0.50 0.06 -0.95 1.61 4.07 -1.23 -2.98 115.31 116.39 3kcc h LEU 150 Ca 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 3kcc h LEU 150 Cb 0.42 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3kcc h LEU 150 CO 0.02 0.73 -0.11 0.00 -1.08 0.00 0.00 178.44 178.00 3kcc h ALA 151 N 1.27 0.98 -0.24 1.53 0.00 -1.12 -2.89 119.26 118.80 3kcc h ALA 151 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kcc h ALA 151 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kcc h ALA 151 CO 0.09 0.13 0.00 0.36 0.00 0.00 0.00 179.25 179.84 3kcc n LYS 152 N -3.20 2.20 -1.88 0.00 2.85 -1.09 -4.75 118.16 112.29 3kcc n LYS 152 Ca 0.01 -1.79 -0.31 0.00 -1.05 0.00 0.00 58.31 55.17 3kcc n LYS 152 Cb 0.42 -1.47 0.01 0.00 -0.65 0.00 0.00 35.03 33.35 3kcc n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3kcc s GLN 153 N -1.71 3.45 0.32 -1.58 -0.21 -1.09 -4.97 119.66 113.88 3kcc s GLN 153 Ca 0.35 0.87 0.04 0.00 0.02 0.00 0.00 55.36 56.64 3kcc s GLN 153 Cb 0.21 -2.06 0.64 0.00 1.00 0.00 0.00 33.01 32.79 3kcc s GLN 153 CO 0.30 -0.69 1.91 -1.00 -2.12 0.00 0.00 175.29 173.69 3kcc h PRO 154 N -0.18 0.87 -0.44 2.91 0.13 -1.92 -2.36 132.00 131.01 3kcc h PRO 154 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3kcc h PRO 154 Cb 1.20 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3kcc h PRO 154 CO 0.60 0.58 0.00 -0.25 -0.23 0.00 0.00 178.00 178.70 3kcc n ASP 155 N -4.51 1.52 -4.79 1.44 10.43 -1.26 -4.88 116.55 114.50 3kcc n ASP 155 Ca 0.14 -2.09 -0.33 0.00 2.57 0.00 0.00 54.79 55.08 3kcc n ASP 155 Cb 0.27 -0.28 0.02 0.00 1.84 0.00 0.00 41.12 42.97 3kcc n ASP 155 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kcc s ALA 156 N -1.64 2.66 -0.14 2.24 0.00 -0.89 -4.94 121.76 119.05 3kcc s ALA 156 Ca 0.14 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 3kcc s ALA 156 Cb 0.09 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3kcc s ALA 156 CO 0.08 -0.89 -0.05 -1.64 0.00 0.00 0.00 175.76 173.26 3kcc s MET 157 N -3.83 3.49 0.38 0.00 1.00 -0.08 -4.95 119.30 115.31 3kcc s MET 157 Ca 0.67 -0.54 -0.28 0.00 0.00 0.00 0.00 55.69 55.55 3kcc s MET 157 Cb -0.19 -2.84 -0.10 0.00 0.00 0.00 0.00 34.83 31.70 3kcc s MET 157 CO 0.34 0.32 1.42 0.99 0.00 0.00 0.00 175.02 178.09 3kcc s THR 158 N 0.15 2.27 0.04 2.05 2.01 -1.26 0.51 115.64 121.40 3kcc s THR 158 Ca -0.02 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.25 3kcc s THR 158 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3kcc s THR 158 CO 0.03 0.06 -0.05 -2.28 -0.69 0.00 0.00 174.62 171.68 3kcc s HIS 159 N -1.15 0.50 0.31 4.92 2.46 -0.84 -4.72 115.29 116.78 3kcc s HIS 159 Ca 0.53 -0.58 0.08 0.00 0.47 0.00 0.00 55.06 55.56 3kcc s HIS 159 Cb -0.44 -0.32 0.85 0.00 -0.13 0.00 0.00 32.58 32.54 3kcc s HIS 159 CO 0.59 -0.15 1.71 -1.35 -2.47 0.00 0.00 174.74 173.07 3kcc h PRO 160 N 4.36 0.49 -0.02 2.88 0.11 -2.01 -2.54 132.00 135.27 3kcc h PRO 160 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3kcc h PRO 160 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kcc h PRO 160 CO 0.44 0.33 -0.32 -0.25 -0.21 0.00 0.00 178.00 177.99 3kcc n ASP 161 N -4.95 1.95 0.00 -2.05 8.00 -1.26 -5.04 116.55 113.21 3kcc n ASP 161 Ca 0.26 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3kcc n ASP 161 Cb 0.73 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 3kcc n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kcc n GLY 162 N 1.38 -0.55 3.04 0.44 0.00 -0.96 -4.31 105.19 104.22 3kcc n GLY 162 Ca 0.11 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 3kcc n GLY 162 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kcc s MET 163 N 0.00 1.94 -0.16 1.61 0.23 -1.06 -1.99 119.30 119.87 3kcc s MET 163 Ca 0.00 -0.48 -0.13 0.00 -1.03 0.00 0.00 55.69 54.05 3kcc s MET 163 Cb 0.00 -1.64 -0.05 0.00 -1.53 0.00 0.00 34.83 31.61 3kcc s MET 163 CO 0.00 -0.02 0.27 -1.14 -2.03 0.00 0.00 175.02 172.10 3kcc s GLN 164 N 0.85 4.21 0.28 3.16 0.74 0.18 -1.04 119.66 128.05 3kcc s GLN 164 Ca -0.10 0.06 0.10 0.00 0.05 0.00 0.00 55.36 55.46 3kcc s GLN 164 Cb -0.15 -3.41 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 3kcc s GLN 164 CO 0.01 0.27 -0.15 0.96 -0.55 0.00 0.00 175.29 175.84 3kcc s ILE 165 N 0.37 2.16 -0.23 -2.34 -4.36 0.42 -0.90 121.20 116.32 3kcc s ILE 165 Ca 0.16 -2.28 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 3kcc s ILE 165 Cb -0.13 -2.35 0.06 0.00 1.25 0.00 0.00 42.46 41.29 3kcc s ILE 165 CO 0.03 -0.38 -0.06 -0.54 0.24 0.00 0.00 174.94 174.23 3kcc s LYS 166 N -3.59 1.68 -0.26 0.37 3.01 -1.26 -1.28 119.74 118.41 3kcc s LYS 166 Ca 0.29 -0.99 -0.24 0.00 -1.01 0.00 0.00 55.97 54.02 3kcc s LYS 166 Cb -0.01 -2.58 0.07 0.00 -1.01 0.00 0.00 37.83 34.29 3kcc s LYS 166 CO 0.13 -0.58 0.70 -1.50 0.51 0.00 0.00 175.35 174.61 3kcc s ILE 167 N 1.38 -0.00 0.53 2.17 2.07 -1.00 -5.05 121.20 121.30 3kcc s ILE 167 Ca -0.06 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.12 3kcc s ILE 167 Cb -0.19 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.40 3kcc s ILE 167 CO -0.06 0.00 0.86 0.42 -1.91 0.00 0.00 174.94 174.24 3kcc s THR 168 N 0.37 4.67 0.40 4.00 -4.23 -1.26 -4.73 115.64 114.86 3kcc s THR 168 Ca -0.00 0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.89 3kcc s THR 168 Cb -0.05 -3.80 0.25 0.00 1.34 0.00 0.00 72.50 70.24 3kcc s THR 168 CO 0.01 -0.85 2.03 0.03 -0.54 0.00 0.00 174.62 175.30 3kcc h ARG 169 N 0.04 0.54 -0.07 3.99 3.08 -1.95 -1.67 114.38 118.35 3kcc h ARG 169 Ca -0.46 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3kcc h ARG 169 Cb 1.21 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3kcc h ARG 169 CO 0.62 0.39 0.03 0.37 -1.07 0.00 0.00 179.97 180.30 3kcc h GLN 170 N 0.55 0.11 -0.95 0.04 4.15 -1.93 -1.03 115.11 116.05 3kcc h GLN 170 Ca 0.15 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.55 3kcc h GLN 170 Cb -0.01 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 3kcc h GLN 170 CO -0.03 0.25 0.62 0.93 -1.93 0.00 0.00 178.83 178.67 3kcc h GLU 171 N -0.05 1.26 -0.54 1.69 3.07 -1.85 -0.82 114.58 117.34 3kcc h GLU 171 Ca 0.02 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3kcc h GLU 171 Cb 0.18 -0.28 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 3kcc h GLU 171 CO -0.00 0.84 0.31 0.82 -1.40 0.00 0.00 179.01 179.59 3kcc h ILE 172 N 1.30 1.17 -0.55 3.13 2.04 -1.07 -1.65 117.51 121.88 3kcc h ILE 172 Ca 0.35 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3kcc h ILE 172 Cb -0.13 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3kcc h ILE 172 CO -0.07 0.18 0.34 1.23 0.00 0.00 0.00 178.15 179.82 3kcc h GLY 173 N 0.73 0.79 2.00 5.37 0.00 -0.41 -0.51 103.07 111.04 3kcc h GLY 173 Ca 0.19 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 3kcc h GLY 173 CO -0.03 0.31 -0.49 1.46 0.00 0.00 0.00 176.54 177.79 3kcc h GLN 174 N 0.75 0.00 0.03 4.80 4.20 -0.65 0.21 115.11 124.45 3kcc h GLN 174 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 3kcc h GLN 174 Cb -0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 3kcc h GLN 174 CO -0.04 0.49 -0.28 0.82 -0.67 0.00 0.00 178.83 179.14 3kcc h ILE 175 N 0.00 1.64 0.00 2.54 2.04 -0.37 0.09 117.51 123.45 3kcc h ILE 175 Ca -0.00 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.62 3kcc h ILE 175 Cb 1.08 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 3kcc h ILE 175 CO 0.06 0.61 -0.89 1.33 0.00 0.00 0.00 178.15 179.26 3kcc n VAL 176 N -4.46 0.18 -1.08 1.67 0.24 -0.29 -4.80 118.33 109.79 3kcc n VAL 176 Ca -0.11 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3kcc n VAL 176 Cb 0.57 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 3kcc n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcc n GLY 177 N 1.38 0.68 3.67 7.63 0.00 0.62 -5.02 105.19 114.16 3kcc n GLY 177 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 3kcc n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcc s SER 179 N -2.96 4.71 0.47 0.00 1.04 -1.26 -4.36 113.70 111.34 3kcc s SER 179 Ca 0.16 1.95 0.18 0.00 0.48 0.00 0.00 55.95 58.73 3kcc s SER 179 Cb -0.03 -2.54 1.13 0.00 0.10 0.00 0.00 66.02 64.69 3kcc s SER 179 CO 0.06 -1.90 2.01 0.08 0.98 0.00 0.00 173.24 174.47 3kcc h ARG 180 N -0.56 0.00 -0.40 4.02 0.11 -1.91 -1.57 114.38 114.08 3kcc h ARG 180 Ca -0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.55 3kcc h ARG 180 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 3kcc h ARG 180 CO 0.52 0.17 -0.04 0.93 0.10 0.00 0.00 179.97 181.65 3kcc h GLU 181 N 0.00 0.73 -0.67 0.08 3.07 -1.93 -1.27 114.58 114.59 3kcc h GLU 181 Ca -0.00 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.36 58.54 3kcc h GLU 181 Cb 0.34 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 3kcc h GLU 181 CO 0.02 0.84 0.15 1.15 -1.40 0.00 0.00 179.01 179.77 3kcc h THR 182 N 0.55 1.26 -0.28 1.13 2.02 -1.75 -1.50 112.91 114.34 3kcc h THR 182 Ca 0.11 -0.97 0.04 0.00 0.77 0.00 0.00 66.41 66.35 3kcc h THR 182 Cb 0.54 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3kcc h THR 182 CO 0.03 0.37 0.06 0.58 0.37 0.00 0.00 175.52 176.93 3kcc h VAL 183 N 1.00 0.88 -0.90 3.16 2.07 -1.22 -1.33 116.25 119.91 3kcc h VAL 183 Ca 0.21 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.80 3kcc h VAL 183 Cb 0.38 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 3kcc h VAL 183 CO 0.00 0.03 0.52 1.23 0.02 0.00 0.00 177.57 179.37 3kcc h GLY 184 N 0.17 1.48 1.07 2.17 0.00 -0.71 0.65 103.07 107.90 3kcc h GLY 184 Ca 0.13 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3kcc h GLY 184 CO -0.16 0.05 -0.57 3.21 0.00 0.00 0.00 176.54 179.07 3kcc h ARG 185 N 0.78 0.76 -0.32 4.80 2.47 -0.89 -2.71 114.38 119.26 3kcc h ARG 185 Ca 0.47 -0.53 -0.11 0.00 -1.26 0.00 0.00 59.98 58.54 3kcc h ARG 185 Cb 0.57 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 3kcc h ARG 185 CO -0.31 1.16 -0.27 0.82 0.56 0.00 0.00 179.97 181.92 3kcc h ILE 186 N 0.49 1.28 -0.32 2.04 1.08 -0.83 -2.18 117.51 119.07 3kcc h ILE 186 Ca -0.01 -1.37 -0.10 0.00 -0.39 0.00 0.00 64.86 62.99 3kcc h ILE 186 Cb 1.18 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 3kcc h ILE 186 CO 0.12 0.45 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.75 3kcc h LEU 187 N 0.56 0.60 -0.52 1.44 3.38 -0.88 -0.29 115.31 119.59 3kcc h LEU 187 Ca 0.07 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3kcc h LEU 187 Cb 0.76 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3kcc h LEU 187 CO 0.06 0.80 -0.11 0.50 0.09 0.00 0.00 178.44 179.78 3kcc h LYS 188 N 0.53 1.00 -0.54 1.13 1.63 -1.32 -0.89 116.57 118.11 3kcc h LYS 188 Ca 0.08 -0.38 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 3kcc h LYS 188 Cb 0.65 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 3kcc h LYS 188 CO 0.05 1.06 0.32 1.98 -3.45 0.00 0.00 179.45 179.40 3kcc h MET 189 N 0.87 0.74 -0.54 1.90 -1.53 -1.00 0.24 114.93 115.61 3kcc h MET 189 Ca 0.13 -0.07 -0.07 0.00 -3.44 0.00 0.00 59.70 56.25 3kcc h MET 189 Cb 0.68 -0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 3kcc h MET 189 CO 0.05 0.55 0.07 -0.07 0.14 0.00 0.00 176.91 177.65 3kcc h LEU 190 N 0.73 0.83 -0.58 3.39 3.38 -0.71 -1.76 115.31 120.58 3kcc h LEU 190 Ca 0.19 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3kcc h LEU 190 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kcc h LEU 190 CO -0.03 0.85 -0.23 1.05 0.09 0.00 0.00 178.44 180.16 3kcc h GLU 191 N 0.82 0.89 -0.72 1.13 4.11 -0.89 -1.75 114.58 118.17 3kcc h GLU 191 Ca 0.17 -0.38 0.10 0.00 0.07 0.00 0.00 59.36 59.32 3kcc h GLU 191 Cb 0.39 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3kcc h GLU 191 CO 0.01 1.02 0.48 -0.44 0.07 0.00 0.00 179.01 180.15 3kcc h ASP 192 N 0.77 0.54 -0.12 3.06 3.32 -0.43 0.42 116.42 123.97 3kcc h ASP 192 Ca 0.10 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kcc h ASP 192 Cb 0.78 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3kcc h ASP 192 CO 0.06 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 3kcc n GLN 193 N -4.49 1.35 -3.75 3.56 6.02 -0.71 -4.90 117.38 114.45 3kcc n GLN 193 Ca 0.12 -0.53 -0.25 0.00 -0.01 0.00 0.00 57.00 56.33 3kcc n GLN 193 Cb 0.35 -1.21 0.04 0.00 1.02 0.00 0.00 30.24 30.44 3kcc n GLN 193 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kcc n ASN 194 N -0.15 -3.65 -0.06 1.08 4.05 0.14 -4.90 115.26 111.77 3kcc n ASN 194 Ca 0.09 -0.74 -0.05 0.00 0.45 0.00 0.00 54.58 54.33 3kcc n ASN 194 Cb 0.15 -4.24 -0.11 0.00 1.23 0.00 0.00 39.78 36.80 3kcc n ASN 194 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3kcc n LEU 195 N -4.56 0.00 -4.09 1.20 4.77 -0.69 -4.97 117.00 108.66 3kcc n LEU 195 Ca -0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 3kcc n LEU 195 Cb 0.59 0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 3kcc n LEU 195 CO 0.70 0.31 0.02 0.27 -1.33 0.00 0.00 177.39 177.36 3kcc s ILE 196 N -2.44 0.00 0.06 -0.08 -4.36 -1.23 -2.06 121.20 111.09 3kcc s ILE 196 Ca -0.07 -1.65 0.06 0.00 -0.26 0.00 0.00 60.65 58.73 3kcc s ILE 196 Cb 0.05 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.37 3kcc s ILE 196 CO 0.59 0.00 -0.17 -0.55 0.24 0.00 0.00 174.94 175.06 3kcc s SER 197 N -3.10 1.98 -0.22 4.36 0.15 -0.69 -4.19 113.70 112.00 3kcc s SER 197 Ca 0.30 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.41 3kcc s SER 197 Cb 0.02 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 3kcc s SER 197 CO 0.12 0.05 -0.13 0.00 1.20 0.00 0.00 173.24 174.47 3kcc s ALA 198 N -0.96 2.52 -0.16 5.45 0.00 -1.26 -1.17 121.76 126.17 3kcc s ALA 198 Ca 0.03 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.49 3kcc s ALA 198 Cb -0.09 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.53 3kcc s ALA 198 CO 0.02 -0.63 -0.13 1.58 0.00 0.00 0.00 175.76 176.60 3kcc n HIS 199 N 4.62 0.81 0.00 0.00 -0.00 -0.31 -5.03 115.22 115.31 3kcc n HIS 199 Ca -0.18 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.35 3kcc n HIS 199 Cb 0.48 -0.81 0.00 0.00 -0.12 0.00 0.00 29.99 29.54 3kcc n HIS 199 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3kcc n GLY 200 N 1.55 -0.78 1.01 1.57 0.00 -1.26 -4.89 105.19 102.40 3kcc n GLY 200 Ca -0.14 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3kcc n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kcc n LYS 201 N -0.33 2.34 -4.23 1.61 4.81 -1.26 -4.96 118.16 116.15 3kcc n LYS 201 Ca 0.00 -2.03 -0.35 0.00 -0.87 0.00 0.00 58.31 55.06 3kcc n LYS 201 Cb 0.00 -1.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.48 3kcc n LYS 201 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kcc s THR 202 N -1.80 4.49 -0.08 3.15 2.01 -1.26 -2.37 115.64 119.78 3kcc s THR 202 Ca 0.31 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.17 3kcc s THR 202 Cb 0.21 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.78 3kcc s THR 202 CO 0.30 0.55 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.02 3kcc s ILE 203 N -0.34 1.23 -0.29 1.82 1.01 -0.40 -1.16 121.20 123.07 3kcc s ILE 203 Ca 0.08 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 3kcc s ILE 203 Cb -0.12 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3kcc s ILE 203 CO 0.02 0.38 0.24 0.68 0.00 0.00 0.00 174.94 176.27 3kcc s VAL 204 N 0.88 5.27 -0.48 2.92 -7.23 -0.32 -0.44 120.40 121.00 3kcc s VAL 204 Ca -0.10 0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 60.09 3kcc s VAL 204 Cb -0.15 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.25 3kcc s VAL 204 CO 0.01 0.17 0.48 -0.69 -0.31 0.00 0.00 175.10 174.76 3kcc s VAL 205 N 1.84 5.11 -2.00 1.32 1.01 -0.21 -1.70 120.40 125.76 3kcc s VAL 205 Ca 0.09 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3kcc s VAL 205 Cb -0.16 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.16 3kcc s VAL 205 CO 0.11 -0.65 0.75 -1.22 0.00 0.00 0.00 175.10 174.08